2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine

C17H26N2 — CID 62133199

IUPAC2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine
SMILESNC1CCCCCC1N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H26N2/c18-16-9-5-2-6-10-17(16)19-12-11-15(13-19)14-7-3-1-4-8-14/h1,3-4,7-8,15-17H,2,5-6,9-13,18H2
InChIKeyFTAVWTFRFVRCSC-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.14
Rot. Bonds2

About 2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine

2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine (PubChem CID 62133199) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine
PubChem CID62133199
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine
SMILESNC1CCCCCC1N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H26N2/c18-16-9-5-2-6-10-17(16)19-12-11-15(13-19)14-7-3-1-4-8-14/h1,3-4,7-8,15-17H,2,5-6,9-13,18H2
InChIKeyFTAVWTFRFVRCSC-UHFFFAOYSA-N
XLogP3.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-phenylazetidin-1-yl)cyclohexan-1-amine
CID 79677158
trans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine
CID 102738931
(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940
1-cyclodecyl-4-phenylpiperidine;hydrochloride
CID 70215634
trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 659840
1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine
CID 81458806
2-(3-tert-butylpyrrolidin-1-yl)cycloheptan-1-amine
CID 113417233
(1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol
CID 175542563
2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine
CID 62133940
2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451069
(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451070
1-(2-phenylcyclohexyl)piperidin-3-amine
CID 105402048

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine?
The IUPAC name of 2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine (CID 62133199) is 2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine.
What is the SMILES notation for 2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine?
The canonical SMILES for 2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine is NC1CCCCCC1N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine?
The InChIKey is FTAVWTFRFVRCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c18-16-9-5-2-6-10-17(16)19-12-11-15(13-19)14-7-3-1-4-8-14/h1,3-4,7-8,15-17H,2,5-6,9-13,18H2.
What are the key properties of 2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine?
2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine is sourced from PubChem (CID 62133199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).